4-[[4-ethanoyl-2-propyl-3-(propylamino)phenoxy]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[4-ethanoyl-2-propyl-3-(propylamino)phenoxy]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[4-acetyl-2-propyl-3-(propylamino)phenoxy]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[4-acetyl-2-propyl-3-(propylamino)phenoxy]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[4-acetyl-2-propyl-3-(propylamino)phenoxy]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[4-acetyl-2-propyl-3-(propylamino)phenoxy]methyl]-3-methoxy-benzoic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1NCCC)C(=O)C)OCC2=C(C=C(C=C2)C(=O)O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1NCCC)C(=O)C)OCC2=C(C=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C23H29NO5/c1-5-7-19-20(11-10-18(15(3)25)22(19)24-12-6-2)29-14-17-9-8-16(23(26)27)13-21(17)28-4/h8-11,13,24H,5-7,12,14H2,1-4H3,(H,26,27)